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Chemistry Quantum Mechanics and Spectroscopy I

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Chemistry:QuantumMechanicsand
SpectroscopyI
J.E.Parker

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J.E. Parker

Chemistry: Quantum Mechanics
and Spectroscopy

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Chemistry: Quantum Mechanics and Spectroscopy
1st edition
© 2015 J.E. Parker & bookboon.com
ISBN 978-87-403-1182-2

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Chemistry: Quantum Mechanics
and Spectroscopy

Contents

Contents


Acknowledgements

7

1

Quantum Mechanics

8

1.1

he Failures of Classical Mechanics

9

1.2

Wave-Particle Duality of Light

16

1.3

he Bohr Model for the Hydrogen Atom

18

1.4


he Wave-Particle Duality of Matter, the de Broglie Equation

20

1.5

Heisenberg’s Uncertainty Principles

22

1.6

Physical Meaning of the Wavefunction of a Particle

24

1.7

Schrödinger’s Wave Equation

26

1.8

Comparison of Matter and Light

43

1.9


Spectroscopy and Speciic Selection Rules

44

2

Pure Rotational Spectroscopy

47

2.1

Rigid Rotor Model for a Diatomic Molecule

48

2.2

Speciic Selection Rule for Pure Rotational Spectroscopy

54

2.3

Gross Section Rule for Pure Rotational Spectroscopy

57

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Chemistry: Quantum Mechanics
and Spectroscopy

Contents

2.4

Rotational Motion of Polyatomic Molecules


58

2.5

Intensities of Rotational Lines

59

3

Pure Vibrational Spectroscopy

62

3.1

Simple Harmonic Oscillator (SHO) Model for a Vibrating Bond

63

3.2

Anharmonic Model for a Vibrating Molecule

68

3.3

Hot Band Transitions


71

3.4

Vibrational Spectra of Polyatomic Molecules

73

4

Vibration-Rotation Spectroscopy

78

4.1

Selection Rules for Vibration-Rotation Transitions

79

4.2

Rotations and Nuclear Statistics

83

5

Raman Spectroscopy


89

5.1

Rotational Raman Scattering

93

5.2

Vibrational Raman Scattering

95

5.3

Advantages and Applications of Raman Scattering

96

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